1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol

C28H29NO3 — CID 110193984

IUPAC1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(CNCCOC(c1ccccc1)c1ccccc1)COc1cccc2ccccc12
InChIInChI=1S/C28H29NO3/c30-25(21-32-27-17-9-15-22-10-7-8-16-26(22)27)20-29-18-19-31-28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,25,28-30H,18-21H2
InChIKeyFQVVHQWUXRJMAO-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.98
Rot. Bonds11

About 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol

1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 110193984) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID110193984
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(CNCCOC(c1ccccc1)c1ccccc1)COc1cccc2ccccc12
InChIInChI=1S/C28H29NO3/c30-25(21-32-27-17-9-15-22-10-7-8-16-26(22)27)20-29-18-19-31-28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,25,28-30H,18-21H2
InChIKeyFQVVHQWUXRJMAO-UHFFFAOYSA-N
XLogP4.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-[2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 102094136
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
CID 10066392
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
1-(3-benzhydryloxypropylamino)-3-(4-methoxyphenoxy)propan-2-ol;oxalic acid
CID 110194018
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol (CID 110193984) is 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol is OC(CNCCOC(c1ccccc1)c1ccccc1)COc1cccc2ccccc12.
What is the InChIKey of 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is FQVVHQWUXRJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c30-25(21-32-27-17-9-15-22-10-7-8-16-26(22)27)20-29-18-19-31-28(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-17,25,28-30H,18-21H2.
What are the key properties of 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol?
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 427.54 g/mol, XLogP of 4.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 110193984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).